arXiv: Computational Physics
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#1N. ValleH-Index: 6
Last. F. Xavier TriasH-Index: 7
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The use of flux limiters is widespread within the scientific computing community to capture shock discontinuities and are of paramount importance for the temporal integration of high-speed aerodynamics, multiphase flows, and hyperbolic equations in general. Meanwhile, the breakthrough of new computing architectures and the hybridization of supercomputer systems pose a huge portability challenge, particularly for legacy codes, since the computing subroutines that form the algorithms, the so-calle...
#1Massoud RezavandH-Index: 5
#2Chi ZhangH-Index: 7
Last. Xiangyu Hu (TUM: Technische Universität München)H-Index: 31
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This paper presents a generalised and efficient wall boundary treatment in the smoothed particle hydrodynamics (SPH) method for 3-D complex and arbitrary geometries with single- and multi-phase flows to be executed on graphics processing units (GPUs). Using a force balance between the wall and fluid particles with a novel penalty method, a pressure boundary condition is applied on the wall dummy particles which effectively prevents non-physical particle penetration into the wall boundaries also ...
#1Konstantinos G. Lyras ('KCL': King's College London)
#2John Lee ('KCL': King's College London)H-Index: 26
This paper presents a finite volume method for simulating two-phase flows using a level set approach coupled with volume of fluid method capable of simulating sharp fluid interfaces. The efficiency of the method is a result of the fact that the interface is calculated in order to satisfy mass conservation with no explicit interface reconstruction step and the mass fluxes across cell-faces are corrected to respect the recovered volume fraction. The mass-conservation correction step proposed here,...
1 Citations
A kinetic energy functional Ee was developed within the framework of the density-functional theory (DFT) based on the energy electron density for the purpose of realizing the orbital-free DFT. The functional includes the nonlocal term described with the linear-response function (LRF) of a reference system. As a notable feature of the present approach, the LRF is represented on the energy coordinate {\epsilon} defined for each system of interest. In addition, an atomic system is taken as a refere...
#1Paul FischerH-Index: 52
#2Elia MerzariH-Index: 17
Last. Noel ChalmersH-Index: 5
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Nek5000/RS is a highly-performant open-source spectral element code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on high-order discretizations that realize the same (or lower) cost per gridpoint as traditional low-order methods. State-of-the-art multilevel preconditioners, efficient high-order time-splitting methods, and runtime-adaptive communication strategies are built on a fa...
1 Citations
Models used for many important engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial difference between the numerical solutions of the model and the observations of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is substantial interest in reducing model errors, particularly through unde...
#1Patrick Gelß (FU: Free University of Berlin)H-Index: 5
#2Rupert Klein (FU: Free University of Berlin)H-Index: 34
Last. Burkhard Schmidt (FU: Free University of Berlin)H-Index: 34
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We demonstrate how to apply the tensor-train format to solve the time-independent Schrodinger equation for quasi one-dimensional excitonic chain systems with and without periodic boundary conditions. The coupled excitons and phonons are modeled by Frenkel-Holstein type Hamiltonians with on-site and nearest-neighbor interactions only. We reduce the memory consumption as well as the computational costs significantly by employing efficient decompositions to construct low rank tensor-train represent...
Physics-informed neural networks (PINNs) have been proposed to learn the solution of partial differential equations (PDE). In PINNs, the residual form of the PDE of interest and its boundary conditions are lumped into a composite objective function as an unconstrained optimization problem, which is then used to train a deep feed-forward neural network. Here, we show that this specific way of formulating the objective function is the source of severe limitations in the PINN approach when applied ...
In this article we present a new formulation and an associated algorithm for the simultaneous numerical simulation of multiple condensed phase explosives in direct contact with each other, which may also be confined by (or interacting with one or more) compliant inert materials. Examples include composite rate-stick problems and interaction of shock waves with chemically-active particles in condensed-phase explosives. There are several formulations which address the compliant or structural respo...
#1Finn Lasse Buessen (U of T: University of Toronto)H-Index: 7
We present the SpinParser open-source software [ https://github.com/fbuessen/SpinParser ]. The software is designed to perform pseudofermion functional renormalization group (pf-FRG) calculations for frustrated quantum magnets in two and three spatial dimensions. It aims to make such calculations readily accessible without the need to write specialized program code; instead, custom lattice graphs and microscopic spin models can be defined as plain-text input files. Underlying symmetries of the m...
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